N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide

C20H31N3O2 — CID 56707784

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-25-16-20(24)23(15-18-5-4-10-21-13-18)14-17-8-11-22(12-9-17)19-6-2-3-7-19/h4-5,10,13,17,19H,2-3,6-9,11-12,14-16H2,1H3
InChIKeyWMYUSQKZILFWSN-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.71
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 56707784) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
PubChem CID56707784
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H31N3O2/c1-25-16-20(24)23(15-18-5-4-10-21-13-18)14-17-8-11-22(12-9-17)19-6-2-3-7-19/h4-5,10,13,17,19H,2-3,6-9,11-12,14-16H2,1H3
InChIKeyWMYUSQKZILFWSN-UHFFFAOYSA-N
XLogP2.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide (CID 56707784) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide is COCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WMYUSQKZILFWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-25-16-20(24)23(15-18-5-4-10-21-13-18)14-17-8-11-22(12-9-17)19-6-2-3-7-19/h4-5,10,13,17,19H,2-3,6-9,11-12,14-16H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 56707784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).